Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002473)

(Analysis AN004039)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
aspartate	ME584848	4.04	3.96	3.73	0.03	0.04	0.03	0.04	0.03	0.03	0.02	0.03	0.02
methylthioadenosine	ME584891	4.11	3.93	3.85	0.01	0.03	0.01	0.01	0.01	0.01	0.01	0.01	0.01
niacinamide	ME584914	4.08	4.06	3.84	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
6-mercaptopurine	ME584816	2.24	0.65	NA	0.62	0.59	NA	0.77	0.71	NA	1.50	0.92	NA
xanthine	ME584951	1.70	1.71	1.61	1.34	1.43	1.24	0.09	0.05	0.06	0.92	0.94	0.90
leu-gly	ME584885	1.91	1.89	1.84	0.74	0.84	0.74	0.68	0.73	0.69	0.67	0.65	0.63
ornithine	ME584918	1.88	1.86	1.82	0.75	0.81	0.71	0.70	0.80	0.66	0.63	0.72	0.65
glutamate	ME584867	2.67	2.65	2.57	0.49	0.63	0.45	0.39	0.47	0.38	0.47	0.43	0.39
glutamine	ME584868	2.51	2.49	2.41	0.52	0.57	0.53	0.49	0.52	0.50	0.49	0.51	0.48
urocanic acid	ME584949	0.70	0.98	1.50	0.65	0.56	1.89	1.18	0.60	0.67	1.23	0.86	1.20
nicotinate	ME584915	0.43	0.57	0.62	0.86	1.24	0.51	1.65	0.99	1.45	1.09	1.13	1.48
linoleoyl ethanolamide	ME584886	1.34	0.83	1.00	0.79	0.89	1.46	0.85	0.67	0.79	1.45	0.95	0.97
N-acetylaspartic acid	ME584902	0.67	0.72	0.68	0.98	1.37	1.13	1.00	1.01	1.05	1.08	1.28	0.94
inosine	ME584880	0.63	0.63	0.70	0.99	1.02	1.26	1.12	1.10	1.36	1.00	1.04	1.15
4-guanidinobutanoic acid	ME584828	0.53	0.54	0.51	1.15	1.11	1.18	1.18	1.12	1.16	1.17	1.18	1.15
cadaverine	ME584852	0.62	0.63	0.59	1.09	1.04	1.18	1.09	0.94	1.17	1.30	1.13	1.21
5-hydroxytryptophol	ME584831	1.46	1.43	1.50	0.75	1.02	0.74	0.74	0.79	0.82	0.78	1.14	0.85
3-methoxytyramine	ME584825	1.22	1.21	1.14	1.00	0.74	0.99	1.02	0.77	1.03	1.02	0.81	1.05
guanidinoacetic acid	ME584870	1.40	1.34	1.31	0.86	0.91	0.90	0.86	0.87	0.87	0.90	0.87	0.90
GABA	ME584866	1.47	1.42	1.40	0.86	0.86	0.87	0.84	0.81	0.84	0.88	0.90	0.86
threonine	ME584942	1.41	1.41	1.35	0.88	0.87	0.88	0.87	0.84	0.85	0.89	0.89	0.87
5-methoxytryptophol	ME584832	1.29	1.25	1.13	0.90	1.00	0.91	0.87	0.91	0.86	0.94	1.07	0.89
asparagine	ME584847	1.25	1.23	1.15	0.95	0.97	0.95	0.91	0.91	0.90	0.93	0.93	0.91
2-deoxyadenosine	ME584821	1.21	1.23	1.23	0.90	0.94	0.93	0.92	0.89	0.94	0.93	0.91	0.97
O-succinyl homoserine	ME584919	1.25	1.23	1.16	0.92	0.92	0.89	0.91	0.93	0.94	0.93	0.93	0.99
C3 carnitine	ME584855	1.35	1.20	1.14	0.96	0.96	0.92	0.92	0.93	0.95	0.91	0.88	0.88
pantothenate	ME584920	1.33	1.27	1.23	0.92	0.97	0.91	0.90	0.91	0.92	0.90	0.83	0.91
phenylacetylglutamine	ME584921	0.91	0.92	1.21	0.82	0.95	1.21	0.90	0.74	1.24	1.08	0.83	1.18
pyridoxine	ME584932	1.00	0.97	1.08	0.98	0.91	0.81	1.02	1.05	1.14	1.02	0.76	1.27
thymidine	ME584943	1.05	0.69	1.10	0.99	1.04	1.08	1.04	0.99	1.03	0.94	1.02	1.02
3-methoxyanthranilate	ME584824	0.89	0.87	0.81	1.03	1.00	0.98	1.15	1.07	1.15	1.09	0.88	1.09
atenolol	ME584849	0.85	0.94	0.68	1.02	1.14	1.02	1.10	0.93	1.04	1.02	1.15	1.11
NMMA	ME584917	0.90	0.88	0.84	1.06	1.00	1.06	1.03	1.00	1.04	1.05	1.08	1.06
pyroglutamic acid	ME584933	0.91	0.90	0.84	1.01	1.06	1.04	1.04	1.02	1.05	1.03	1.07	1.04
acetyl-galactosamine	ME584837	0.85	0.87	0.79	1.03	1.08	1.10	1.04	1.01	1.07	1.07	1.07	1.02
glycine	ME584869	0.85	0.84	0.80	1.05	1.04	1.07	1.04	1.04	1.04	1.08	1.08	1.07
N2,N2-dimethylguanosine	ME584896	0.86	0.85	0.83	1.04	1.02	1.07	1.07	1.01	1.07	1.07	1.02	1.09
N-acetyltryptophan	ME584911	0.82	0.83	0.85	1.06	1.04	1.04	1.05	1.03	1.05	1.08	1.04	1.11
4-pyridoxate	ME584829	0.84	0.82	0.74	1.05	1.10	1.07	1.07	1.06	1.07	1.04	1.06	1.08
N1-methyl-2-pyridone-5-carboxamide	ME584895	0.84	0.82	0.76	1.09	1.02	1.02	1.09	1.05	1.09	1.06	1.03	1.14
1-methylguanosine	ME584819	0.81	0.78	0.81	1.05	1.05	1.13	1.05	1.01	1.10	1.02	1.05	1.14
histamine	ME584873	0.79	0.79	0.78	1.09	1.03	1.10	1.05	1.02	1.09	1.10	1.09	1.07
pterin	ME584930	0.98	1.00	1.06	0.92	0.95	1.11	0.93	0.89	1.06	0.96	1.00	1.14
cyclohexylamine	ME584860	0.94	0.94	1.04	1.02	0.96	1.08	1.08	0.96	0.99	1.05	0.96	0.97
imidazoleacetic acid	ME584879	0.92	1.01	0.96	1.01	1.09	1.04	0.95	0.90	1.06	1.02	0.98	1.07
kynurenic acid	ME584882	0.90	0.91	0.92	0.98	1.01	1.09	1.04	0.95	1.13	1.00	0.98	1.08
1-methylhistidine	ME584820	1.06	1.02	0.91	1.02	1.06	1.06	0.98	0.90	0.90	1.00	1.10	0.97
anthranilic acid	ME584845	0.99	0.97	0.87	1.02	1.02	0.98	1.09	0.97	1.00	1.13	0.98	0.98
N-carbamoyl-beta-alanine	ME584913	0.94	0.91	0.91	1.03	1.03	1.04	1.06	0.99	1.00	0.99	1.04	1.06
valine	ME584950	0.92	0.93	0.87	1.07	1.03	1.02	1.03	1.00	1.03	1.01	1.05	1.06
2-deoxycytidine	ME584822	0.91	0.94	0.88	1.02	1.04	1.05	1.04	0.99	1.03	1.02	1.02	1.05
agmatine	ME584840	0.92	0.92	0.88	1.02	1.03	1.03	1.02	1.00	1.03	1.05	1.06	1.05
5-methylcytidine	ME584833	0.92	0.96	0.91	1.01	1.03	0.99	1.05	1.00	1.04	1.02	1.01	1.06
5-methylcytosine	ME584834	0.92	0.94	0.92	1.01	1.02	1.00	1.04	1.01	1.04	1.04	1.02	1.04
2-methylguanosine	ME584823	0.93	0.97	0.94	1.00	0.99	1.04	1.01	0.99	1.05	1.02	0.99	1.07
7-methylguanine	ME584835	0.94	0.95	0.93	1.03	1.00	1.02	1.01	0.99	1.04	1.04	1.01	1.03
tyramine	ME584947	0.94	0.94	0.93	1.01	1.00	1.03	1.02	0.98	1.04	1.04	1.03	1.04
nicotinuric acid	ME584916	0.91	0.92	0.93	1.04	0.98	1.03	1.07	1.00	1.05	0.99	1.01	1.06
cytosine	ME584862	0.90	0.92	0.89	1.04	0.99	1.02	1.05	0.98	1.06	1.04	1.02	1.08
N-acetylhistidine	ME584904	0.89	0.91	0.90	1.03	1.02	1.02	1.04	1.02	1.07	1.03	1.01	1.03
methylguanidine	ME584890	0.91	0.96	0.90	1.01	1.07	1.00	1.04	0.95	1.00	1.07	1.10	1.00
histidine	ME584874	1.00	0.94	0.88	1.04	1.04	1.08	0.99	0.97	0.94	1.01	1.12	0.98
spermidine	ME584939	0.96	0.91	0.89	1.04	1.05	1.03	0.99	1.03	0.99	0.99	1.07	1.04
N6,N6-dimethyllysine	ME584898	0.96	0.94	0.87	1.05	1.05	1.06	1.01	0.97	0.98	1.03	1.07	1.02
taurine	ME584940	0.94	0.94	0.86	1.02	1.04	1.11	1.02	0.99	1.00	1.02	1.04	1.01
methionine sulfoxide	ME584889	0.98	0.91	0.84	1.03	1.06	1.07	0.97	1.01	1.01	1.03	1.08	1.01
isoleucine	ME584881	0.96	0.94	0.85	1.02	1.03	1.03	1.02	1.01	1.01	1.04	1.06	1.00
N-acetylleucine	ME584905	0.98	0.93	0.89	1.00	1.05	1.05	1.00	1.01	1.01	1.03	1.07	0.99
xanthosine	ME584952	0.97	0.97	0.91	0.99	1.13	1.07	0.98	0.97	1.01	1.02	1.03	0.96
N1-acetylspermine	ME584894	1.02	0.97	0.89	1.03	0.98	0.92	1.01	1.05	1.01	1.01	1.05	1.04
pseudouridine	ME584929	1.02	0.96	0.86	1.00	1.03	1.00	1.04	1.02	1.01	1.01	1.00	1.05
cytidine	ME584861	0.93	0.98	0.97	1.02	0.98	0.99	1.04	1.02	1.04	1.00	0.99	1.04
ectoine	ME584865	0.96	1.01	0.97	1.04	1.03	0.97	1.02	1.03	0.99	0.99	0.98	1.01
5-hydroxytryptophan	ME584830	1.07	1.00	0.91	0.96	1.02	0.99	0.98	0.99	0.99	1.01	1.06	1.00
N6,N6,N6-trimethyllysine	ME584899	1.03	0.98	0.89	1.02	1.05	1.06	0.98	0.94	0.98	1.03	1.05	1.00
N6-methyllysine	ME584897	1.05	1.01	0.94	1.02	1.02	1.04	0.97	0.96	0.95	1.00	1.05	0.99
ADMA	ME584839	1.03	0.99	0.91	1.02	1.02	1.04	0.98	0.95	0.98	1.02	1.07	0.99
SDMA	ME584935	1.05	1.01	0.91	1.02	1.02	1.04	0.96	0.95	0.97	1.01	1.06	1.01
phenylalanine-d8	ME584814	1.01	0.98	1.03	0.99	0.99	1.01	0.99	0.99	1.00	1.01	1.02	0.98
lysine	ME584887	1.04	1.03	0.99	1.00	1.00	1.00	0.98	1.00	0.97	0.98	1.02	1.00
progesterone	ME584925	1.07	1.04	0.97	0.97	1.00	1.01	0.97	0.98	0.98	1.01	1.02	1.00
thiamine	ME584941	1.05	1.06	0.97	0.99	1.02	1.00	0.98	0.98	0.98	0.99	0.99	0.98
4-acetamidobutanoate	ME584827	1.02	1.02	0.96	0.99	1.04	1.01	1.00	0.99	1.01	0.99	1.02	0.96
dimethylglycine	ME584864	1.02	1.01	1.01	1.00	1.03	1.00	0.99	0.99	0.99	0.99	0.99	0.98
homocitrulline	ME584877	1.03	1.00	0.99	1.01	1.03	1.01	0.98	1.00	0.99	1.00	1.01	0.97
N-acetylalanine	ME584901	1.02	1.00	0.96	1.02	1.01	1.00	1.01	0.99	1.00	1.00	0.98	1.00
N-acetylmethionine	ME584906	1.02	1.01	0.97	1.02	1.04	0.99	0.99	0.97	0.99	1.00	0.99	0.99
proline	ME584927	1.03	1.01	0.98	1.00	1.01	0.99	1.00	0.98	0.99	1.00	1.01	1.00
proline-betaine	ME584928	0.98	1.05	0.90	1.00	1.04	1.00	1.01	0.98	1.00	1.06	1.00	0.98
tryptophan	ME584946	0.95	0.98	0.89	1.00	1.04	1.02	1.01	0.98	1.03	1.02	1.05	1.03
N-acetylglutamine	ME584903	1.00	0.98	0.89	0.96	1.06	1.01	1.02	0.99	1.00	1.02	1.05	1.02
tyrosine	ME584948	0.98	0.99	0.89	0.99	1.04	1.01	1.02	0.99	1.01	1.03	1.03	1.02
homoarginine	ME584876	0.99	0.99	0.94	0.99	1.03	1.02	1.03	0.99	0.96	1.00	1.03	1.03
acetylcholine	ME584836	0.96	0.99	0.92	1.03	1.04	1.00	1.01	1.01	1.01	1.00	1.02	1.01
guanosine	ME584871	0.98	0.98	0.93	1.00	1.02	1.04	1.01	0.98	1.03	1.02	1.00	1.02
arginine	ME584846	1.01	0.98	0.96	1.00	1.01	1.00	1.00	0.99	0.99	1.00	1.03	1.03
alpha-glycerophosphocholine	ME584844	0.99	1.00	0.94	1.01	1.03	1.00	1.00	0.98	1.03	0.99	1.01	1.01
carnitine	ME584853	0.99	1.02	0.94	1.01	1.02	1.00	1.01	0.98	1.01	1.01	1.01	1.00
creatinine	ME584859	1.00	0.99	0.93	1.00	1.01	1.02	1.02	0.98	1.00	1.02	1.02	1.01
choline	ME584856	1.00	0.99	0.95	1.00	1.02	1.00	1.00	0.99	1.02	1.01	1.01	1.00
butyrobetaine	ME584851	1.00	0.99	0.95	0.99	1.03	1.01	1.00	0.98	1.00	1.02	1.02	0.99
leucine	ME584884	1.00	0.99	0.94	0.99	1.03	1.02	1.00	0.99	1.00	1.02	1.02	1.00
trigonelline	ME584944	0.98	0.97	0.94	1.01	1.02	1.01	1.01	1.00	1.02	1.01	1.02	1.01
betaine	ME584850	0.99	0.99	0.97	1.01	1.01	1.00	1.01	1.00	1.01	1.00	1.02	1.00
N-acetylputrescine	ME584909	0.99	1.00	0.94	1.02	1.01	1.01	1.01	1.00	1.01	1.00	1.02	0.99
N-acetylphenylalanine	ME584908	0.98	0.99	0.92	1.00	1.03	1.04	1.01	0.99	1.00	1.01	1.04	1.00
alanine	ME584841	0.97	0.95	0.92	1.01	1.04	1.04	1.01	1.00	0.98	1.03	1.05	1.00
histidinol	ME584875	1.00	0.95	0.91	1.01	1.03	1.04	1.02	0.99	0.98	1.02	1.05	1.00
methionine	ME584888	1.01	1.02	0.92	0.99	1.02	1.01	1.01	0.99	0.99	1.02	1.03	0.99
N1-acetylspermidine	ME584893	1.01	0.98	0.91	1.00	1.03	1.02	1.01	0.98	1.01	1.02	1.04	0.99
phenylalanine	ME584922	1.01	0.99	0.91	0.99	1.02	1.00	1.00	1.00	1.02	1.03	1.03	1.00
C2 carnitine	ME584854	1.01	0.99	0.93	0.99	1.02	1.04	0.99	0.99	0.98	1.04	1.04	0.99
phosphocholine	ME584923	1.03	1.00	0.90	0.99	1.05	1.02	0.99	0.99	0.98	1.02	1.04	0.99
dethiobiotin	ME584863	1.20	1.19	1.16	1.01	1.04	1.01	0.87	0.85	0.88	0.94	0.94	0.93
S-adenosylhomocysteine	ME584934	1.11	1.12	1.03	1.04	1.03	1.00	0.86	0.90	0.93	0.96	1.02	0.99
myristoleate	ME584892	0.97	1.12	1.11	1.07	1.01	0.98	1.02	1.01	0.94	0.88	0.94	0.94
1H-indole-3cetamide	ME584818	1.15	1.19	1.02	0.93	0.93	0.96	0.98	0.96	1.02	0.98	0.96	0.92
serotonin	ME584937	1.14	1.07	1.11	0.97	0.98	1.03	1.02	0.86	0.96	0.99	0.93	0.93
creatine	ME584858	1.06	1.08	1.12	0.97	0.95	0.95	0.99	0.96	0.98	0.97	0.97	0.98
pipecolic acid	ME584924	1.14	1.14	1.11	0.96	0.97	0.95	0.95	0.95	0.95	0.97	0.97	0.95
pro-gly	ME584926	1.10	1.11	1.14	0.99	0.97	0.93	0.96	0.95	0.96	0.97	0.94	0.97
hydroxyproline	ME584878	1.15	1.17	1.17	0.91	0.97	0.97	0.95	0.90	0.94	0.98	0.94	0.94
serine	ME584936	1.19	1.17	1.11	0.95	0.97	0.96	0.94	0.92	0.92	0.95	0.99	0.93
N-acetylserine	ME584910	1.07	1.09	1.08	0.94	1.04	0.96	1.05	0.99	0.97	0.92	1.00	0.89
3-methylhistidine	ME584826	1.06	1.03	1.03	0.98	1.05	1.02	0.97	0.92	0.94	0.97	1.10	0.92
valine-d8	ME584815	1.01	1.01	1.09	0.96	1.01	1.04	0.98	0.97	0.96	0.98	1.03	0.96
S-methyl-L-cysteine-S-oxide	ME584938	1.03	1.01	1.11	1.00	0.98	0.94	0.97	1.02	0.95	0.95	0.98	1.06
L-alpha-glutamyl-L-lysine	ME584883	1.09	1.06	1.06	1.00	0.98	0.97	0.97	0.98	0.95	0.92	0.99	1.03
tryptamine	ME584945	1.07	1.10	1.02	0.98	0.97	0.99	1.00	0.95	0.99	0.97	0.97	0.99
N-acetylornithine	ME584907	1.09	1.09	1.04	0.99	1.00	0.99	0.96	0.97	0.95	0.97	1.00	0.96
N-alpha-acetylarginine	ME584912	1.04	1.04	1.04	0.99	0.98	0.98	0.98	0.97	0.99	0.99	1.00	0.99
citrulline	ME584857	1.06	1.05	1.02	0.99	1.01	0.99	0.98	0.98	0.98	0.98	1.00	0.97
N6-acetyllysine	ME584900	1.07	1.05	1.03	0.99	1.00	0.98	0.98	0.97	0.99	0.98	0.99	0.97
adenosine	ME584838	1.02	1.02	1.06	0.96	0.99	1.03	0.97	0.94	1.03	0.97	0.97	1.04
hippurate	ME584872	1.05	1.02	1.02	0.95	0.98	0.96	1.00	0.99	1.02	1.01	0.97	1.02
allopurinol riboside	ME584843	NA	NA	NA	1.26	1.27	1.83	0.87	0.87	1.10	0.58	0.59	0.63
allopurinol	ME584842	0.01	0.01	0.03	1.18	1.08	1.01	1.28	1.19	1.17	1.72	1.56	1.75
putrescine	ME584931	0.02	0.02	0.02	1.29	1.25	1.33	1.33	1.22	1.36	1.38	1.38	1.38

Factors:

F1	Strain:None \| Drug:6-mercaptopurine
F2	Strain:None \| Drug:Azathioprine
F3	Strain:None \| Drug:None
F4	Strain:pucD \| Drug:6-mercaptopurine
F5	Strain:pucD \| Drug:Azathioprine
F6	Strain:pucD \| Drug:None
F7	Strain:WT \| Drug:6-mercaptopurine
F8	Strain:WT \| Drug:Azathioprine
F9	Strain:WT \| Drug:None
F10	Strain:xdhA \| Drug:6-mercaptopurine
F11	Strain:xdhA \| Drug:Azathioprine
F12	Strain:xdhA \| Drug:None

Data matrix